#DFF:MSD
#Model Structure Data File     Time = 2009-05-26 16:21:16    Energy =  92.834718
PBC:      24.087057   24.087057   24.087057   90.000000   90.000000   90.000000
90
1     C0     6      c1           c_4    -0.086000  -5.386600    -5.384442    -6.091023    1     UNK   1    
2     C1     6      c1           c_4    -0.086000  -4.303379    -6.134652    -5.190427    1     UNK   6    
3     C2     6      c1           c_4    -0.086000  -3.330626    -4.974964    -4.703562    1     UNK   5    
4     C3     6      c1           c_4    -0.086000  -4.122867    -3.933320    -3.864028    1     UNK   4    
5     C4     6      c1           c_4    -0.086000  -5.626786    -4.211997    -3.829633    1     UNK   3    
6     C5     6      c1           c_4    -0.086000  -6.119577    -4.284706    -5.276110    1     UNK   2    
7     H6     1      h2           h_1    0.043000   -6.144901    -6.087907    -6.486843    1     UNK   1    
8     H7     1      h2           h_1    0.043000   -4.854731    -4.882826    -6.940917    1     UNK   1    
9     H8     1      h2           h_1    0.043000   -3.800113    -6.976872    -5.699270    1     UNK   6    
10    H9     1      h2           h_1    0.043000   -4.789579    -6.642295    -4.318439    1     UNK   6    
11    H10    1      h2           h_1    0.043000   -2.928356    -4.451603    -5.592575    1     UNK   5    
12    H11    1      h2           h_1    0.043000   -2.485686    -5.351551    -4.082805    1     UNK   5    
13    H12    1      h2           h_1    0.043000   -3.944227    -2.902823    -4.253868    1     UNK   4    
14    H13    1      h2           h_1    0.043000   -3.789798    -4.005116    -2.809713    1     UNK   4    
15    H14    1      h2           h_1    0.043000   -6.126996    -3.367521    -3.327178    1     UNK   3    
16    H15    1      h2           h_1    0.043000   -5.878571    -5.132578    -3.249729    1     UNK   3    
17    H16    1      h2           h_1    0.043000   -5.987946    -3.287522    -5.756974    1     UNK   2    
18    H17    1      h2           h_1    0.043000   -7.193754    -4.541297    -5.208356    1     UNK   2    
19    C0     6      c1           c_4    -0.086000  7.338126     -3.674033    -5.788568    2     UNK   7    
20    C1     6      c1           c_4    -0.086000  7.307964     -5.207892    -6.228276    2     UNK   12   
21    C2     6      c1           c_4    -0.086000  8.166173     -5.949709    -5.114138    2     UNK   11   
22    C3     6      c1           c_4    -0.086000  7.504869     -5.760764    -3.719616    2     UNK   10   
23    C4     6      c1           c_4    -0.086000  6.297226     -4.822092    -3.752781    2     UNK   9    
24    C5     6      c1           c_4    -0.086000  6.756156     -3.495116    -4.360193    2     UNK   8    
25    H6     1      h2           h_1    0.043000   6.754845     -3.039392    -6.483970    2     UNK   7    
26    H7     1      h2           h_1    0.043000   8.405601     -3.332141    -5.768076    2     UNK   7    
27    H8     1      h2           h_1    0.043000   7.644578     -5.385691    -7.265854    2     UNK   12   
28    H9     1      h2           h_1    0.043000   6.258057     -5.597494    -6.250863    2     UNK   12   
29    H10    1      h2           h_1    0.043000   9.171392     -5.487238    -5.072987    2     UNK   11   
30    H11    1      h2           h_1    0.043000   8.269786     -7.042494    -5.304511    2     UNK   11   
31    H12    1      h2           h_1    0.043000   8.252230     -5.379814    -2.983267    2     UNK   10   
32    H13    1      h2           h_1    0.043000   7.103981     -6.738169    -3.385407    2     UNK   10   
33    H14    1      h2           h_1    0.043000   5.966816     -4.641597    -2.716419    2     UNK   9    
34    H15    1      h2           h_1    0.043000   5.428556     -5.260857    -4.300724    2     UNK   9    
35    H16    1      h2           h_1    0.043000   7.510355     -3.026800    -3.685792    2     UNK   8    
36    H17    1      h2           h_1    0.043000   5.846751     -2.867379    -4.416896    2     UNK   8    
37    C0     6      c1           c_4    -0.086000  7.722372     -3.476314    7.674049     3     UNK   13   
38    C1     6      c1           c_4    -0.086000  6.196184     -3.789775    7.328677     3     UNK   18   
39    C2     6      c1           c_4    -0.086000  6.271115     -4.754087    6.066735     3     UNK   17   
40    C3     6      c1           c_4    -0.086000  7.034769     -6.056697    6.436837     3     UNK   16   
41    C4     6      c1           c_4    -0.086000  7.619353     -6.026328    7.850011     3     UNK   15   
42    C5     6      c1           c_4    -0.086000  8.506642     -4.785301    7.959699     3     UNK   14   
43    H6     1      h2           h_1    0.043000   7.812512     -2.816660    8.559169     3     UNK   13   
44    H7     1      h2           h_1    0.043000   8.192814     -2.983043    6.784030     3     UNK   13   
45    H8     1      h2           h_1    0.043000   5.572523     -2.888540    7.185479     3     UNK   18   
46    H9     1      h2           h_1    0.043000   5.686753     -4.294818    8.188864     3     UNK   18   
47    H10    1      h2           h_1    0.043000   6.842773     -4.247284    5.265371     3     UNK   17   
48    H11    1      h2           h_1    0.043000   5.265811     -5.038734    5.679968     3     UNK   17   
49    H12    1      h2           h_1    0.043000   7.850859     -6.251682    5.700701     3     UNK   16   
50    H13    1      h2           h_1    0.043000   6.314056     -6.898268    6.438386     3     UNK   16   
51    H14    1      h2           h_1    0.043000   8.246297     -6.922890    7.987600     3     UNK   15   
52    H15    1      h2           h_1    0.043000   6.830973     -6.054509    8.640477     3     UNK   15   
53    H16    1      h2           h_1    0.043000   9.366281     -4.888256    7.257221     3     UNK   14   
54    H17    1      h2           h_1    0.043000   8.864403     -4.770627    9.006594     3     UNK   14   
55    C0     6      c1           c_4    -0.086000  -4.586815    6.410339     -6.062479    4     UNK   19   
56    C1     6      c1           c_4    -0.086000  -4.329818    5.870315     -4.582796    4     UNK   24   
57    C2     6      c1           c_4    -0.086000  -3.714058    7.118298     -3.813620    4     UNK   23   
58    C3     6      c1           c_4    -0.086000  -4.731963    8.293550     -3.805326    4     UNK   22   
59    C4     6      c1           c_4    -0.086000  -5.986473    8.004014     -4.631653    4     UNK   21   
60    C5     6      c1           c_4    -0.086000  -5.536706    7.638395     -6.047383    4     UNK   20   
61    H6     1      h2           h_1    0.043000   -5.036204    5.630972     -6.708365    4     UNK   19   
62    H7     1      h2           h_1    0.043000   -3.606530    6.741567     -6.493975    4     UNK   19   
63    H8     1      h2           h_1    0.043000   -3.716866    4.951664     -4.538663    4     UNK   24   
64    H9     1      h2           h_1    0.043000   -5.287209    5.538275     -4.105689    4     UNK   24   
65    H10    1      h2           h_1    0.043000   -2.811912    7.460909     -4.356489    4     UNK   23   
66    H11    1      h2           h_1    0.043000   -3.443757    6.885201     -2.758252    4     UNK   23   
67    H12    1      h2           h_1    0.043000   -4.249149    9.228726     -4.176955    4     UNK   22   
68    H13    1      h2           h_1    0.043000   -5.094110    8.437607     -2.768085    4     UNK   22   
69    H14    1      h2           h_1    0.043000   -6.593066    8.923531     -4.679404    4     UNK   21   
70    H15    1      h2           h_1    0.043000   -6.627995    7.212930     -4.173535    4     UNK   21   
71    H16    1      h2           h_1    0.043000   -5.041444    8.522388     -6.512458    4     UNK   20   
72    H17    1      h2           h_1    0.043000   -6.464205    7.384136     -6.594424    4     UNK   20   
73    C0     6      c1           c_4    -0.086000  -4.903418    8.676605     6.847486     5     UNK   25   
74    C1     6      c1           c_4    -0.086000  -6.174602    7.731911     7.043919     5     UNK   30   
75    C2     6      c1           c_4    -0.086000  -5.725597    6.338911     6.422792     5     UNK   29   
76    C3     6      c1           c_4    -0.086000  -4.496778    5.782618     7.196037     5     UNK   28   
77    C4     6      c1           c_4    -0.086000  -3.963378    6.754521     8.250091     5     UNK   27   
78    C5     6      c1           c_4    -0.086000  -3.653901    8.077972     7.548228     5     UNK   26   
79    H6     1      h2           h_1    0.043000   -5.081048    9.689458     7.258777     5     UNK   25   
80    H7     1      h2           h_1    0.043000   -4.680038    8.746563     5.751099     5     UNK   25   
81    H8     1      h2           h_1    0.043000   -7.110986    8.144102     6.625707     5     UNK   30   
82    H9     1      h2           h_1    0.043000   -6.428582    7.623132     8.129357     5     UNK   30   
83    H10    1      h2           h_1    0.043000   -5.414440    6.501500     5.372677     5     UNK   29   
84    H11    1      h2           h_1    0.043000   -6.532546    5.571414     6.454108     5     UNK   29   
85    H12    1      h2           h_1    0.043000   -3.677690    5.517646     6.485616     5     UNK   28   
86    H13    1      h2           h_1    0.043000   -4.814851    4.885130     7.762653     5     UNK   28   
87    H14    1      h2           h_1    0.043000   -3.026054    6.344041     8.660819     5     UNK   27   
88    H15    1      h2           h_1    0.043000   -4.666717    6.884401     9.107817     5     UNK   27   
89    H16    1      h2           h_1    0.043000   -2.831581    7.917416     6.812723     5     UNK   26   
90    H17    1      h2           h_1    0.043000   -3.324989    8.766339     8.349593     5     UNK   26   
90
1     2     1   
2     3     1   
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5     6     1   
6     1     1   
1     7     1   
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2     9     1   
2     10    1   
3     11    1   
3     12    1   
4     13    1   
4     14    1   
5     15    1   
5     16    1   
6     17    1   
6     18    1   
19    20    1   
20    21    1   
21    22    1   
22    23    1   
23    24    1   
24    19    1   
19    25    1   
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20    27    1   
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24    35    1   
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37    38    1   
38    39    1   
39    40    1   
40    41    1   
41    42    1   
42    37    1   
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37    44    1   
38    45    1   
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55    56    1   
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60    55    1   
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73    74    1   
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78    73    1   
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76    86    1   
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78    89    1   
78    90    1   
